3MVY
X-ray structure of the diatomic oxo-intermediate NikA/1-Int', prior hydroxylation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Detector technology | CCD |
| Collection date | 2009-04-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.985, 95.172, 125.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.490 - 2.500 |
| R-factor | 0.17645 |
| Rwork | 0.173 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1ZLQ |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.716 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.500 | |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 34625 | |
| <I/σ(I)> | 7.86 | 3.3 |
| Completeness [%] | 94.0 | 88 |
| Redundancy | 2.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 1.8M ammonium sulfate, 0.1M sodium acetate, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
